1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]purine-2,6-dione hydrochloride

Systemtic Name: 1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]purine-2,6-dione hydrochloride Openeye Name: 7-[2-(benzylamino)ethyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]purine-2,6-dione hydrochloride IUPAC Name: 7-[2-(benzylamino)ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[2-(benzylamino)ethyl]-1,3-dimethyl-xanthine hydrochloride Formula: C16H20ClN5O2 MolecularWeight: 349.8153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC3=CC=CC=C3.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC3=CC=CC=C3.Cl

InChI

InChI=1S/C16H19N5O2.ClH/c1-19-14-13(15(22)20(2)16(19)23)21(11-18-14)9-8-17-10-12-6-4-3-5-7-12;/h3-7,11,17H,8-10H2,1-2H3;1H